MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009823

CHLOROMETHYL PHENYL SULFONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009823
RECORD_TITLE: CHLOROMETHYL PHENYL SULFONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: CHLOROMETHYL PHENYL SULFONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇ClO₂S
CH$EXACT_MASS: 189.98553
CH$SMILES: ClCS(=O)(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: INCHIKEY NXAIQSVCXQZNRY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00222386

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004l-9800000000-7a3b6476452b0064ba7a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  28 2.1 21
  48 1.2 12
  49 0.35 4
  50 1.6 16
  51 38.1 381
  52 2 20
  63 0.16 2
  65 3.5 35
  69 1.1 11
  74 4.2 42
  75 0.28 3
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  78 13.7 137
  91 0.34 3
  97 4 40
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  126 1.5 15
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  160 2.7 27
  190 2.41 24
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//